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Compound Detail

CHEMBL335028

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[N-]=[N+]=NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL335028
Phase Preclinical
Structure Type MOL
InChI Key CYKRKWKDNIBUBF-PJEQPVAWSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

219.2
MW (Da)
-1.86
ALogP
6
HBA
4
HBD
138.9
PSA (Ų)
0.25
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H13N3O5
MW 219.20
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.67

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
9406599 10.1021/jm970273d Glycogen phosphorylase, muscle form 1
8057302 10.1021/jm00042a012 Glycogen phosphorylase, brain form 1
9154968 10.1021/jm9608016 Glycogen phosphorylase, brain form 1
12213058 10.1021/jm020808p Glycogen phosphorylase, brain form 1
9435905 10.1021/jm970488n Unchecked 1

Data from ChEMBL 36 via Core Engine